期刊
SOLID STATE COMMUNICATIONS
卷 148, 期 11-12, 页码 521-524出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.ssc.2008.09.055
关键词
A. SiGe alloy; B. Optical properties; C. VASP
Ultra-soft pseudopotential (US-PP) calculations with a powerful package called VASP (Vienna ab initio simulation package) are used. The total density of state and the energy gap of Si0.5Ge0.5 alloy of zinc-blende structure are calculated using the band structure scheme. The energy gap is found to be indirect for the zinc-blende structure. The results of refractive index and optical dielectric constant of Si0.5Ge0 5 alloy are investigated. The results are in reasonable agreement with experimental and theoretical ones. (c) 2008 Elsevier Ltd. All rights reserved.
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